#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ncw s VAL 2 N 0.00 3.33 -0.01 5.15 0.11 -1.26 -4.49 120.40 123.22 1ncw s VAL 2 Ca 0.00 1.18 0.04 0.00 -2.93 0.00 0.00 61.98 60.28 1ncw s VAL 2 Cb 0.00 -3.75 -0.01 0.00 -1.53 0.00 0.00 36.38 31.09 1ncw s VAL 2 CO 0.00 0.22 -0.15 -1.10 -3.33 0.00 0.00 175.10 170.74 1ncw s GLN 3 N -0.68 1.25 0.08 1.54 -0.21 -0.47 -4.98 119.66 116.18 1ncw s GLN 3 Ca 0.52 -0.53 0.08 0.00 0.02 0.00 0.00 55.36 55.45 1ncw s GLN 3 Cb -0.35 -1.19 -0.03 0.00 1.00 0.00 0.00 33.01 32.45 1ncw s GLN 3 CO 0.40 0.30 -0.22 -0.51 -2.12 0.00 0.00 175.29 173.15 1ncw s LEU 4 N -0.29 2.24 -0.12 2.90 1.02 -1.26 -0.68 118.68 122.49 1ncw s LEU 4 Ca 0.05 -0.62 -0.05 0.00 0.02 0.00 0.00 54.13 53.52 1ncw s LEU 4 Cb -0.06 -0.98 0.05 0.00 0.02 0.00 0.00 46.19 45.22 1ncw s LEU 4 CO -0.00 0.13 0.27 -1.58 0.02 0.00 0.00 176.35 175.18 1ncw s GLN 5 N -1.57 0.20 0.35 1.70 0.74 -0.83 -4.15 119.66 116.09 1ncw s GLN 5 Ca 0.08 0.64 -0.20 0.00 0.05 0.00 0.00 55.36 55.93 1ncw s GLN 5 Cb -0.09 -0.07 -0.10 0.00 1.10 0.00 0.00 33.01 33.84 1ncw s GLN 5 CO 0.03 -0.21 0.86 -0.65 -0.55 0.00 0.00 175.29 174.77 1ncw s GLN 6 N 1.72 4.25 0.17 1.67 1.11 -1.26 -1.29 119.66 126.03 1ncw s GLN 6 Ca -0.05 1.01 -0.09 0.00 0.01 0.00 0.00 55.36 56.23 1ncw s GLN 6 Cb -0.11 -2.48 -0.01 0.00 -1.01 0.00 0.00 33.01 29.40 1ncw s GLN 6 CO -0.09 0.15 0.30 -1.54 0.01 0.00 0.00 175.29 174.12 1ncw s SER 7 N -2.01 0.02 0.00 5.90 1.04 -0.01 -4.91 113.70 113.73 1ncw s SER 7 Ca 0.55 -0.87 0.00 0.00 0.48 0.00 0.00 55.95 56.11 1ncw s SER 7 Cb -0.12 0.45 0.00 0.00 0.10 0.00 0.00 66.02 66.45 1ncw s SER 7 CO 0.18 -0.91 0.00 0.61 0.98 0.00 0.00 173.24 174.09 1ncw n GLY 8 N -0.23 3.32 3.72 7.32 0.00 -1.26 -0.87 105.19 117.18 1ncw n GLY 8 Ca -0.07 -1.75 -0.43 0.00 0.00 0.00 0.00 46.02 43.77 1ncw n GLY 8 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ncw n PRO 9 N -1.85 2.45 0.00 1.61 -0.02 -1.26 -4.92 135.00 131.01 1ncw n PRO 9 Ca 0.00 0.87 0.12 0.00 -2.02 0.00 0.00 63.50 62.47 1ncw n PRO 9 Cb 0.00 -2.61 0.17 0.00 -0.02 0.00 0.00 33.50 31.04 1ncw n PRO 9 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ncw n GLY 10 N 2.20 -1.21 2.84 -1.23 0.00 -1.26 -4.82 105.19 101.71 1ncw n GLY 10 Ca 0.10 -0.40 -0.22 0.00 0.00 0.00 0.00 46.02 45.51 1ncw n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ncw s LEU 11 N -3.06 1.00 -0.03 0.99 2.96 -1.26 -0.59 118.68 118.69 1ncw s LEU 11 Ca 0.10 -0.12 0.02 0.00 -0.22 0.00 0.00 54.13 53.92 1ncw s LEU 11 Cb 0.17 -0.47 0.00 0.00 0.50 0.00 0.00 46.19 46.40 1ncw s LEU 11 CO 0.74 -0.12 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.86 1ncw s VAL 12 N 1.43 0.82 0.32 1.68 1.01 -0.27 -4.98 120.40 120.41 1ncw s VAL 12 Ca -0.03 -0.37 -0.26 0.00 0.00 0.00 0.00 61.98 61.31 1ncw s VAL 12 Cb -0.13 -0.74 -0.10 0.00 0.00 0.00 0.00 36.38 35.41 1ncw s VAL 12 CO -0.03 0.26 0.99 -0.54 0.00 0.00 0.00 175.10 175.78 1ncw s LYS 13 N 0.26 4.53 0.29 2.72 -0.14 -1.26 -1.24 119.74 124.90 1ncw s LYS 13 Ca -0.04 1.45 -0.28 0.00 -1.36 0.00 0.00 55.97 55.73 1ncw s LYS 13 Cb -0.10 -2.85 -0.14 0.00 -1.68 0.00 0.00 37.83 33.07 1ncw s LYS 13 CO 0.01 0.21 1.10 -2.30 -0.76 0.00 0.00 175.35 173.60 1ncw n PRO 14 N 0.61 1.53 -0.43 -1.68 -0.02 -1.26 -1.86 135.00 131.88 1ncw n PRO 14 Ca 0.02 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 1ncw n PRO 14 Cb 0.49 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 1ncw n PRO 14 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1ncw n SER 15 N 1.23 0.00 -1.14 2.55 7.64 0.23 -4.94 113.62 119.18 1ncw n SER 15 Ca 0.09 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.97 1ncw n SER 15 Cb 0.32 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.52 1ncw n SER 15 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ncw n GLN 16 N -2.00 2.27 -4.60 1.43 1.13 -0.78 -4.19 117.38 110.64 1ncw n GLN 16 Ca 0.00 0.00 -0.28 0.00 -1.94 0.00 0.00 57.00 54.78 1ncw n GLN 16 Cb 0.00 0.00 -0.14 0.00 0.11 0.00 0.00 30.24 30.21 1ncw n GLN 16 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 1ncw s SER 17 N -1.00 2.96 0.04 1.08 0.01 -1.26 -1.43 113.70 114.11 1ncw s SER 17 Ca 0.00 -0.64 -0.15 0.00 1.31 0.00 0.00 55.95 56.47 1ncw s SER 17 Cb 0.00 -0.23 -0.06 0.00 0.21 0.00 0.00 66.02 65.94 1ncw s SER 17 CO 0.00 0.18 0.46 -0.22 0.41 0.00 0.00 173.24 174.07 1ncw s LEU 18 N -1.58 4.45 -0.22 2.44 0.20 -0.06 -4.93 118.68 118.99 1ncw s LEU 18 Ca 0.11 1.02 -0.03 0.00 0.69 0.00 0.00 54.13 55.91 1ncw s LEU 18 Cb -0.10 -2.78 0.07 0.00 -0.43 0.00 0.00 46.19 42.95 1ncw s LEU 18 CO 0.04 0.27 0.08 -0.44 -0.29 0.00 0.00 176.35 176.00 1ncw s SER 19 N -1.25 3.04 0.17 3.68 0.01 -1.26 -1.07 113.70 117.02 1ncw s SER 19 Ca 0.28 -0.97 0.10 0.00 1.31 0.00 0.00 55.95 56.67 1ncw s SER 19 Cb -0.17 -0.49 -0.04 0.00 0.21 0.00 0.00 66.02 65.53 1ncw s SER 19 CO 0.16 -0.36 -0.19 -0.76 0.41 0.00 0.00 173.24 172.50 1ncw s LEU 20 N 1.95 2.62 -0.01 2.44 1.43 0.03 -4.13 118.68 123.00 1ncw s LEU 20 Ca 0.03 -0.72 0.07 0.00 -1.03 0.00 0.00 54.13 52.48 1ncw s LEU 20 Cb -0.17 -1.37 -0.02 0.00 0.03 0.00 0.00 46.19 44.66 1ncw s LEU 20 CO -0.16 0.13 -0.21 -0.89 0.23 0.00 0.00 176.35 175.44 1ncw s THR 21 N -1.53 2.48 -0.18 5.49 2.01 -0.05 -0.91 115.64 122.95 1ncw s THR 21 Ca 0.21 -1.03 -0.00 0.00 0.31 0.00 0.00 61.69 61.17 1ncw s THR 21 Cb -0.09 -1.94 0.01 0.00 0.01 0.00 0.00 72.50 70.49 1ncw s THR 21 CO 0.11 0.53 -0.15 0.00 -0.69 0.00 0.00 174.62 174.42 1ncw s THR 23 N 1.16 5.24 -0.16 0.00 2.01 -0.41 -1.54 115.64 121.95 1ncw s THR 23 Ca 0.01 0.41 -0.07 0.00 0.31 0.00 0.00 61.69 62.35 1ncw s THR 23 Cb -0.14 -3.62 -0.04 0.00 0.01 0.00 0.00 72.50 68.70 1ncw s THR 23 CO -0.06 0.22 0.09 -0.69 -0.69 0.00 0.00 174.62 173.49 1ncw s VAL 24 N 1.79 5.06 0.15 3.82 1.01 -0.87 -1.97 120.40 129.38 1ncw s VAL 24 Ca 0.12 0.05 0.08 0.00 0.00 0.00 0.00 61.98 62.23 1ncw s VAL 24 Cb -0.16 -3.25 -0.04 0.00 0.00 0.00 0.00 36.38 32.94 1ncw s VAL 24 CO 0.09 0.52 -0.18 0.42 0.00 0.00 0.00 175.10 175.96 1ncw s THR 25 N -0.20 1.70 0.00 3.92 -4.23 0.15 -4.79 115.64 112.18 1ncw s THR 25 Ca 0.09 -1.81 0.00 0.00 -1.18 0.00 0.00 61.69 58.79 1ncw s THR 25 Cb -0.12 -1.73 0.00 0.00 1.34 0.00 0.00 72.50 72.00 1ncw s THR 25 CO 0.01 -0.29 0.00 0.61 -0.54 0.00 0.00 174.62 174.41 1ncw n GLY 26 N 0.48 0.85 3.59 3.99 0.00 -1.26 -1.36 105.19 111.48 1ncw n GLY 26 Ca -0.15 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.76 1ncw n GLY 26 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1ncw s TYR 27 N -3.18 -0.50 0.12 1.61 6.14 -1.26 -4.24 117.35 116.04 1ncw s TYR 27 Ca 0.00 1.03 -0.30 0.00 0.64 0.00 0.00 57.07 58.44 1ncw s TYR 27 Cb 0.00 0.39 -0.06 0.00 0.42 0.00 0.00 41.96 42.71 1ncw s TYR 27 CO 0.00 -0.35 1.01 0.45 0.64 0.00 0.00 175.55 177.30 1ncw s SER 28 N -0.50 7.40 0.01 4.32 0.15 -1.26 -4.94 113.70 118.88 1ncw s SER 28 Ca -0.01 1.87 0.17 0.00 0.70 0.00 0.00 55.95 58.68 1ncw s SER 28 Cb -0.02 -2.59 0.72 0.00 -1.71 0.00 0.00 66.02 62.41 1ncw s SER 28 CO 0.00 -0.15 1.54 2.30 1.20 0.00 0.00 173.24 178.13 1ncw n ILE 29 N 2.85 0.86 1.00 6.45 -5.35 -1.26 -2.21 119.36 121.69 1ncw n ILE 29 Ca 0.03 0.21 0.07 0.00 -0.27 0.00 0.00 62.75 62.79 1ncw n ILE 29 Cb 0.48 -0.94 0.21 0.00 -1.74 0.00 0.00 39.64 37.65 1ncw n ILE 29 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1ncw n THR 30 N -1.54 0.40 -5.04 7.28 -2.24 -1.26 -4.24 114.28 107.64 1ncw n THR 30 Ca 0.04 -0.43 -0.29 0.00 -2.27 0.00 0.00 64.05 61.10 1ncw n THR 30 Cb 0.20 0.25 -0.16 0.00 -2.10 0.00 0.00 70.33 68.51 1ncw n THR 30 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1ncw s SER 31 N -1.13 2.62 0.00 3.42 0.01 -0.94 -4.67 113.70 113.01 1ncw s SER 31 Ca 0.25 -0.44 0.00 0.00 1.31 0.00 0.00 55.95 57.07 1ncw s SER 31 Cb 0.13 -0.85 0.00 0.00 0.21 0.00 0.00 66.02 65.51 1ncw s SER 31 CO 0.18 0.18 0.00 0.47 0.41 0.00 0.00 173.24 174.48 1ncw n ASP 32 N 3.20 0.00 -4.96 2.44 8.00 -1.26 -4.84 116.55 119.13 1ncw n ASP 32 Ca -0.18 0.00 -0.22 0.00 0.71 0.00 0.00 54.79 55.09 1ncw n ASP 32 Cb 0.52 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.61 1ncw n ASP 32 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1ncw s PHE 33 N 0.00 3.41 -0.19 1.24 0.40 -1.26 -0.79 117.98 120.80 1ncw s PHE 33 Ca 0.00 0.18 -0.12 0.00 -0.60 0.00 0.00 56.93 56.38 1ncw s PHE 33 Cb 0.00 -1.87 -0.05 0.00 0.51 0.00 0.00 43.02 41.62 1ncw s PHE 33 CO 0.00 0.14 0.23 0.00 0.70 0.00 0.00 175.22 176.29 1ncw s ALA 34 N -2.24 3.62 -0.44 5.36 0.00 0.15 -0.98 121.76 127.23 1ncw s ALA 34 Ca 0.40 -0.59 -0.13 0.00 0.00 0.00 0.00 51.96 51.64 1ncw s ALA 34 Cb -0.09 -2.33 0.06 0.00 0.00 0.00 0.00 23.12 20.75 1ncw s ALA 34 CO 0.34 0.04 0.32 -1.58 0.00 0.00 0.00 175.76 174.88 1ncw s TRP 35 N 0.58 3.27 0.13 0.00 0.52 -0.01 -1.67 118.94 121.76 1ncw s TRP 35 Ca 0.13 -1.05 0.03 0.00 0.02 0.00 0.00 56.10 55.22 1ncw s TRP 35 Cb -0.13 -2.93 -0.04 0.00 -1.15 0.00 0.00 33.47 29.22 1ncw s TRP 35 CO 0.02 -0.76 0.24 -0.80 0.02 0.00 0.00 176.95 175.67 1ncw s ASN 35 N 2.20 6.18 -0.11 2.95 0.01 0.57 -0.91 114.94 125.83 1ncw s ASN 35 Ca 0.04 0.13 0.00 0.00 -0.71 0.00 0.00 52.86 52.32 1ncw s ASN 35 Cb -0.23 -1.83 -0.02 0.00 0.41 0.00 0.00 41.25 39.59 1ncw s ASN 35 CO 0.06 0.08 -0.12 0.26 -1.51 0.00 0.00 177.10 175.87 1ncw s TRP 36 N -1.69 2.82 -0.02 2.20 0.52 -0.06 -1.04 118.94 121.67 1ncw s TRP 36 Ca 0.34 -0.44 0.02 0.00 0.02 0.00 0.00 56.10 56.04 1ncw s TRP 36 Cb -0.11 -1.80 0.00 0.00 -1.15 0.00 0.00 33.47 30.41 1ncw s TRP 36 CO 0.27 -0.06 -0.07 0.42 0.02 0.00 0.00 176.95 177.54 1ncw s ILE 37 N 0.02 0.58 0.19 2.03 1.01 -0.19 -0.91 121.20 123.93 1ncw s ILE 37 Ca -0.03 -0.26 0.11 0.00 0.00 0.00 0.00 60.65 60.46 1ncw s ILE 37 Cb -0.14 -0.52 -0.04 0.00 0.01 0.00 0.00 42.46 41.76 1ncw s ILE 37 CO 0.04 0.19 -0.23 0.00 0.00 0.00 0.00 174.94 174.93 1ncw s ARG 38 N 0.15 1.47 -0.16 2.79 1.70 -0.32 -0.50 118.95 124.08 1ncw s ARG 38 Ca -0.02 -1.50 0.01 0.00 -0.47 0.00 0.00 55.73 53.75 1ncw s ARG 38 Cb -0.07 -1.75 0.02 0.00 -0.57 0.00 0.00 34.95 32.58 1ncw s ARG 38 CO -0.00 0.38 -0.19 -1.14 -1.08 0.00 0.00 175.30 173.27 1ncw s GLN 39 N -2.67 2.77 0.38 3.89 0.74 0.43 -0.51 119.66 124.69 1ncw s GLN 39 Ca 0.20 -0.75 -0.02 0.00 0.05 0.00 0.00 55.36 54.84 1ncw s GLN 39 Cb -0.08 -2.38 -0.04 0.00 1.10 0.00 0.00 33.01 31.62 1ncw s GLN 39 CO 0.09 -0.17 0.63 -0.06 -0.55 0.00 0.00 175.29 175.23 1ncw s PHE 40 N 1.23 3.52 -0.54 1.67 0.08 0.08 -1.25 117.98 122.77 1ncw s PHE 40 Ca 0.02 0.55 -0.39 0.00 0.12 0.00 0.00 56.93 57.23 1ncw s PHE 40 Cb -0.14 -2.06 -0.18 0.00 -0.57 0.00 0.00 43.02 40.07 1ncw s PHE 40 CO -0.10 0.00 2.08 -2.30 -0.10 0.00 0.00 175.22 174.81 1ncw n PRO 41 N -1.80 0.00 0.00 0.24 -0.02 -1.26 -2.48 135.00 129.68 1ncw n PRO 41 Ca -0.03 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.45 1ncw n PRO 41 Cb 0.55 -1.40 0.00 0.00 -0.02 0.00 0.00 33.50 32.64 1ncw n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ncw n GLY 42 N 6.84 1.08 2.61 -1.23 0.00 -1.26 -4.46 105.19 108.76 1ncw n GLY 42 Ca 0.53 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.34 1ncw n GLY 42 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ncw n ASN 43 N 0.00 -5.73 -4.53 1.61 3.02 -1.25 -4.95 115.26 103.43 1ncw n ASN 43 Ca 0.00 -0.08 -0.37 0.00 -0.03 0.00 0.00 54.58 54.10 1ncw n ASN 43 Cb 0.00 -4.73 -0.11 0.00 -0.61 0.00 0.00 39.78 34.32 1ncw n ASN 43 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1ncw s LYS 44 N -5.26 3.82 -0.14 3.52 2.20 -1.03 -5.00 119.74 117.84 1ncw s LYS 44 Ca 0.10 -0.40 -0.05 0.00 -0.36 0.00 0.00 55.97 55.26 1ncw s LYS 44 Cb -0.04 -3.43 -0.04 0.00 -1.51 0.00 0.00 37.83 32.81 1ncw s LYS 44 CO 0.12 -0.11 0.03 -0.51 -0.36 0.00 0.00 175.35 174.52 1ncw s LEU 45 N 1.45 3.66 -0.10 5.43 1.43 -1.26 -0.74 118.68 128.56 1ncw s LEU 45 Ca 0.06 0.08 0.03 0.00 -1.03 0.00 0.00 54.13 53.27 1ncw s LEU 45 Cb -0.15 -1.89 0.01 0.00 0.03 0.00 0.00 46.19 44.19 1ncw s LEU 45 CO 0.06 0.25 -0.18 -0.70 0.23 0.00 0.00 176.35 176.00 1ncw s GLU 46 N -0.08 2.43 -0.05 1.70 2.12 0.33 -4.99 118.70 120.16 1ncw s GLU 46 Ca 0.05 -0.65 -0.30 0.00 0.36 0.00 0.00 54.97 54.43 1ncw s GLU 46 Cb -0.12 -1.95 -0.04 0.00 0.26 0.00 0.00 34.13 32.28 1ncw s GLU 46 CO 0.02 0.04 1.27 -0.46 -0.54 0.00 0.00 175.26 175.58 1ncw s TRP 47 N 0.68 3.06 -0.21 5.30 -0.00 -1.26 -1.18 118.94 125.33 1ncw s TRP 47 Ca -0.13 1.08 -0.11 0.00 -0.00 0.00 0.00 56.10 56.94 1ncw s TRP 47 Cb -0.16 -3.50 -0.19 0.00 -0.00 0.00 0.00 33.47 29.62 1ncw s TRP 47 CO 0.03 -1.69 0.04 -1.33 -0.00 0.00 0.00 176.95 174.00 1ncw n MET 48 N 5.38 0.64 0.00 5.86 2.81 -0.09 -4.50 117.12 127.22 1ncw n MET 48 Ca 0.12 0.34 0.00 0.00 -1.81 0.00 0.00 57.70 56.35 1ncw n MET 48 Cb 0.45 -1.64 0.00 0.00 -0.71 0.00 0.00 33.22 31.33 1ncw n MET 48 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1ncw n GLY 49 N 1.70 -0.38 3.24 3.03 0.00 -1.13 -0.37 105.19 111.28 1ncw n GLY 49 Ca -0.40 -1.15 -0.13 0.00 0.00 0.00 0.00 46.02 44.34 1ncw n GLY 49 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1ncw s TYR 50 N -2.00 1.24 -0.08 1.61 -0.85 0.05 -0.88 117.35 116.44 1ncw s TYR 50 Ca 0.00 -1.16 0.03 0.00 -0.52 0.00 0.00 57.07 55.42 1ncw s TYR 50 Cb 0.00 -0.70 0.01 0.00 0.38 0.00 0.00 41.96 41.65 1ncw s TYR 50 CO 0.00 -0.37 -0.16 -1.50 -1.52 0.00 0.00 175.55 172.01 1ncw s ILE 51 N -3.83 1.40 0.20 -3.49 2.07 -0.09 -1.92 121.20 115.54 1ncw s ILE 51 Ca 0.30 -0.64 0.01 0.00 -1.41 0.00 0.00 60.65 58.91 1ncw s ILE 51 Cb 0.07 -1.25 0.04 0.00 0.13 0.00 0.00 42.46 41.44 1ncw s ILE 51 CO 0.08 0.41 0.27 -0.46 -1.91 0.00 0.00 174.94 173.33 1ncw n ASN 52 N 3.73 0.44 0.30 4.50 6.94 0.82 -0.83 115.26 131.15 1ncw n ASN 52 Ca -0.22 -1.35 0.17 0.00 -0.02 0.00 0.00 54.58 53.16 1ncw n ASN 52 Cb 0.52 -0.17 0.95 0.00 -2.36 0.00 0.00 39.78 38.72 1ncw n ASN 52 CO 0.00 0.00 0.00 0.10 -1.03 0.00 0.00 177.26 176.33 1ncw h TYR 53 N -0.33 0.00 -0.07 -2.53 -0.00 -1.23 -0.73 116.97 112.08 1ncw h TYR 53 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.64 1ncw h TYR 53 Cb 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.08 1ncw h TYR 53 CO 0.00 0.03 0.00 0.43 -0.00 0.00 0.00 178.16 178.62 1ncw n SER 54 N -3.48 2.94 0.00 0.10 7.64 -1.26 -4.31 113.62 115.25 1ncw n SER 54 Ca -0.02 -1.97 0.00 0.00 1.01 0.00 0.00 58.87 57.89 1ncw n SER 54 Cb 0.14 -0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.31 1ncw n SER 54 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ncw n GLY 55 N 1.35 0.59 3.77 0.23 0.00 -0.28 -5.07 105.19 105.78 1ncw n GLY 55 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 1ncw n GLY 55 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1ncw s PHE 56 N -2.35 3.43 0.29 1.61 5.36 -1.26 -4.71 117.98 120.35 1ncw s PHE 56 Ca 0.00 1.66 0.07 0.00 -0.96 0.00 0.00 56.93 57.70 1ncw s PHE 56 Cb 0.00 -3.28 -0.06 0.00 -0.34 0.00 0.00 43.02 39.34 1ncw s PHE 56 CO 0.00 -0.72 -0.07 0.95 -1.46 0.00 0.00 175.22 173.92 1ncw s THR 57 N -1.29 1.80 -0.19 0.12 -4.23 -1.26 -0.13 115.64 110.46 1ncw s THR 57 Ca 0.49 -2.15 -0.22 0.00 -1.18 0.00 0.00 61.69 58.63 1ncw s THR 57 Cb -0.30 -2.48 0.06 0.00 1.34 0.00 0.00 72.50 71.12 1ncw s THR 57 CO 0.39 -0.29 0.59 -0.55 -0.54 0.00 0.00 174.62 174.22 1ncw s SER 58 N -3.48 -0.60 0.07 3.99 0.15 -0.81 -4.98 113.70 108.05 1ncw s SER 58 Ca 0.30 1.07 -0.03 0.00 0.70 0.00 0.00 55.95 58.00 1ncw s SER 58 Cb 0.03 1.08 -0.03 0.00 -1.71 0.00 0.00 66.02 65.39 1ncw s SER 58 CO 0.13 -0.28 0.04 -1.38 1.20 0.00 0.00 173.24 172.95 1ncw s HIS 59 N 0.01 0.49 0.13 3.44 -3.43 -1.26 -0.77 115.29 113.90 1ncw s HIS 59 Ca -0.02 -0.99 -0.31 0.00 -0.80 0.00 0.00 55.06 52.94 1ncw s HIS 59 Cb -0.04 -0.33 -0.09 0.00 -1.43 0.00 0.00 32.58 30.70 1ncw s HIS 59 CO 0.02 -0.44 1.50 1.21 -2.00 0.00 0.00 174.74 175.03 1ncw s ASN 60 N -2.93 6.69 0.66 7.38 3.84 0.51 -4.90 114.94 126.19 1ncw s ASN 60 Ca 0.09 2.47 0.36 0.00 0.21 0.00 0.00 52.86 55.99 1ncw s ASN 60 Cb 0.07 -2.59 1.95 0.00 -0.55 0.00 0.00 41.25 40.14 1ncw s ASN 60 CO -0.08 -0.76 2.11 -0.65 -2.79 0.00 0.00 177.10 174.92 1ncw h PRO 61 N 7.01 0.00 0.00 0.43 0.11 -1.95 -0.81 132.00 136.79 1ncw h PRO 61 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1ncw h PRO 61 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1ncw h PRO 61 CO 0.90 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 179.35 1ncw h SER 62 N 0.00 0.00 -0.38 -2.05 4.64 -1.96 -2.20 113.55 111.60 1ncw h SER 62 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1ncw h SER 62 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 1ncw h SER 62 CO -0.00 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.14 1ncw n LEU 63 N -2.92 3.86 -4.55 5.97 4.77 -0.31 -5.06 117.00 118.76 1ncw n LEU 63 Ca -0.03 -2.60 -0.52 0.00 -0.03 0.00 0.00 56.01 52.83 1ncw n LEU 63 Cb 0.06 -0.46 -0.06 0.00 -2.33 0.00 0.00 43.42 40.64 1ncw n LEU 63 CO 0.18 0.71 0.70 1.17 -1.33 0.00 0.00 177.39 178.83 1ncw n LYS 64 N 0.17 0.81 0.00 3.23 4.81 -0.83 -0.31 118.16 126.03 1ncw n LYS 64 Ca 0.19 0.29 0.00 0.00 -0.87 0.00 0.00 58.31 57.92 1ncw n LYS 64 Cb 0.77 -1.81 0.00 0.00 0.02 0.00 0.00 35.03 34.01 1ncw n LYS 64 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1ncw n SER 65 N 2.08 0.00 0.01 3.14 3.41 -1.26 -4.82 113.62 116.18 1ncw n SER 65 Ca 0.18 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.90 1ncw n SER 65 Cb 0.19 -0.82 0.02 0.00 -0.26 0.00 0.00 64.21 63.34 1ncw n SER 65 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1ncw n ARG 66 N -1.93 0.12 -4.84 4.33 1.74 0.57 -4.94 116.66 111.71 1ncw n ARG 66 Ca 0.00 -0.01 -0.33 0.00 -0.77 0.00 0.00 57.85 56.74 1ncw n ARG 66 Cb 0.00 -1.53 -0.13 0.00 -1.02 0.00 0.00 32.46 29.78 1ncw n ARG 66 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 1ncw s ILE 67 N -3.09 3.15 -0.05 0.55 2.07 -1.23 -0.91 121.20 121.69 1ncw s ILE 67 Ca 0.07 -0.68 0.02 0.00 -1.41 0.00 0.00 60.65 58.64 1ncw s ILE 67 Cb 0.16 -2.25 0.02 0.00 0.13 0.00 0.00 42.46 40.51 1ncw s ILE 67 CO 0.80 0.59 -0.08 -0.44 -1.91 0.00 0.00 174.94 173.90 1ncw s SER 68 N -0.63 1.30 -0.15 4.50 0.01 -0.43 -5.00 113.70 113.30 1ncw s SER 68 Ca 0.09 -0.20 0.01 0.00 1.31 0.00 0.00 55.95 57.16 1ncw s SER 68 Cb -0.11 -0.59 0.00 0.00 0.21 0.00 0.00 66.02 65.54 1ncw s SER 68 CO 0.01 -0.00 -0.18 -0.63 0.41 0.00 0.00 173.24 172.85 1ncw s ILE 69 N 0.71 2.42 0.37 1.44 1.01 -1.26 -0.94 121.20 124.95 1ncw s ILE 69 Ca -0.12 -0.86 0.07 0.00 0.00 0.00 0.00 60.65 59.74 1ncw s ILE 69 Cb -0.14 -2.00 -0.03 0.00 0.01 0.00 0.00 42.46 40.30 1ncw s ILE 69 CO 0.02 0.53 0.24 0.42 0.00 0.00 0.00 174.94 176.15 1ncw s THR 70 N 0.80 0.16 0.15 2.92 -4.23 -0.91 -4.90 115.64 109.62 1ncw s THR 70 Ca -0.06 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 58.35 1ncw s THR 70 Cb -0.15 -2.42 -0.00 0.00 1.34 0.00 0.00 72.50 71.26 1ncw s THR 70 CO -0.00 0.00 0.27 0.00 -0.54 0.00 0.00 174.62 174.35 1ncw s ARG 71 N -3.49 1.09 -0.23 3.99 1.70 -1.26 -0.85 118.95 119.89 1ncw s ARG 71 Ca 0.35 -1.10 -0.03 0.00 -0.47 0.00 0.00 55.73 54.48 1ncw s ARG 71 Cb 0.02 0.38 0.07 0.00 -0.57 0.00 0.00 34.95 34.85 1ncw s ARG 71 CO 0.24 -0.39 0.06 0.34 -1.08 0.00 0.00 175.30 174.47 1ncw s ASP 72 N -2.93 3.24 0.30 -2.89 -1.08 0.18 -4.99 116.67 108.50 1ncw s ASP 72 Ca 0.13 -1.07 0.15 0.00 -0.52 0.00 0.00 52.55 51.24 1ncw s ASP 72 Cb 0.03 -0.63 0.39 0.00 -1.46 0.00 0.00 42.92 41.25 1ncw s ASP 72 CO -0.03 -0.35 1.60 0.71 0.52 0.00 0.00 175.17 177.62 1ncw h THR 73 N 6.50 1.11 0.00 1.71 1.35 -1.97 -1.49 112.91 120.11 1ncw h THR 73 Ca -0.16 -2.02 -0.02 0.00 -0.55 0.00 0.00 66.41 63.66 1ncw h THR 73 Cb 1.08 2.18 -0.00 0.00 -1.73 0.00 0.00 68.15 69.68 1ncw h THR 73 CO 0.38 0.52 -0.09 0.77 -0.25 0.00 0.00 175.52 176.85 1ncw h SER 74 N 0.00 0.00 -0.01 5.36 4.64 -1.95 -2.66 113.55 118.93 1ncw h SER 74 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1ncw h SER 74 Cb 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1ncw h SER 74 CO 0.07 0.09 -0.45 0.29 -0.87 0.00 0.00 176.83 175.96 1ncw n LYS 75 N -3.72 1.56 -3.64 4.77 5.02 -0.87 -4.99 118.16 116.28 1ncw n LYS 75 Ca -0.02 -0.68 -0.23 0.00 -2.02 0.00 0.00 58.31 55.36 1ncw n LYS 75 Cb 0.20 -1.32 0.06 0.00 -0.02 0.00 0.00 35.03 33.96 1ncw n LYS 75 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1ncw n ASN 76 N -0.36 -4.19 -4.26 4.39 5.15 -0.62 -4.83 115.26 110.54 1ncw n ASN 76 Ca 0.06 -0.65 -0.21 0.00 -0.60 0.00 0.00 54.58 53.18 1ncw n ASN 76 Cb 0.35 -4.67 -0.12 0.00 -0.53 0.00 0.00 39.78 34.81 1ncw n ASN 76 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1ncw s GLN 77 N -6.09 1.07 0.19 1.20 -0.21 -1.04 -2.05 119.66 112.73 1ncw s GLN 77 Ca 0.37 -1.18 0.03 0.00 0.02 0.00 0.00 55.36 54.60 1ncw s GLN 77 Cb -0.17 -1.18 -0.05 0.00 1.00 0.00 0.00 33.01 32.61 1ncw s GLN 77 CO 0.76 0.26 -0.03 -0.59 -2.12 0.00 0.00 175.29 173.57 1ncw s PHE 78 N -1.53 1.38 0.05 0.91 -0.71 -0.59 -0.65 117.98 116.84 1ncw s PHE 78 Ca 0.07 -0.90 0.00 0.00 -1.04 0.00 0.00 56.93 55.06 1ncw s PHE 78 Cb -0.08 -0.77 -0.03 0.00 -1.21 0.00 0.00 43.02 40.93 1ncw s PHE 78 CO 0.04 -0.05 -0.05 -0.06 -1.34 0.00 0.00 175.22 173.76 1ncw s PHE 79 N -3.46 0.56 -0.08 3.49 0.08 -0.03 0.10 117.98 118.64 1ncw s PHE 79 Ca 0.24 -0.80 0.03 0.00 0.12 0.00 0.00 56.93 56.52 1ncw s PHE 79 Cb 0.05 -0.37 0.01 0.00 -0.57 0.00 0.00 43.02 42.14 1ncw s PHE 79 CO 0.05 -0.23 -0.17 -1.17 -0.10 0.00 0.00 175.22 173.60 1ncw s LEU 80 N -2.33 1.83 -0.09 -0.37 2.96 -0.09 -2.14 118.68 118.44 1ncw s LEU 80 Ca -0.01 -0.40 0.04 0.00 -0.22 0.00 0.00 54.13 53.54 1ncw s LEU 80 Cb -0.00 -1.06 -0.00 0.00 0.50 0.00 0.00 46.19 45.62 1ncw s LEU 80 CO -0.05 0.09 -0.23 -1.58 -1.32 0.00 0.00 176.35 173.26 1ncw s GLN 81 N 0.52 2.86 -0.15 1.98 0.74 -0.12 -0.79 119.66 124.71 1ncw s GLN 81 Ca -0.16 -0.84 -0.01 0.00 0.05 0.00 0.00 55.36 54.40 1ncw s GLN 81 Cb -0.17 -2.20 0.04 0.00 1.10 0.00 0.00 33.01 31.78 1ncw s GLN 81 CO 0.06 0.20 -0.05 -1.17 -0.55 0.00 0.00 175.29 173.77 1ncw s LEU 82 N 0.29 1.43 0.61 3.68 2.96 -0.23 -1.32 118.68 126.10 1ncw s LEU 82 Ca -0.16 -0.55 0.09 0.00 -0.22 0.00 0.00 54.13 53.29 1ncw s LEU 82 Cb -0.17 -0.86 0.10 0.00 0.50 0.00 0.00 46.19 45.76 1ncw s LEU 82 CO 0.08 -0.17 0.84 0.54 -1.32 0.00 0.00 176.35 176.31 1ncw s ASN 82 N 1.68 4.96 -1.57 3.68 2.20 -0.09 -0.88 114.94 124.93 1ncw s ASN 82 Ca 0.02 -0.87 -0.11 0.00 -0.94 0.00 0.00 52.86 50.97 1ncw s ASN 82 Cb -0.14 0.40 0.09 0.00 -2.00 0.00 0.00 41.25 39.60 1ncw s ASN 82 CO -0.08 -1.46 0.65 -1.20 -2.94 0.00 0.00 177.10 172.07 1ncw n SER 82 N -2.34 -2.24 -4.79 3.54 7.64 -1.08 -4.88 113.62 109.46 1ncw n SER 82 Ca 0.17 -0.99 -0.33 0.00 1.01 0.00 0.00 58.87 58.73 1ncw n SER 82 Cb 0.62 -2.98 0.03 0.00 -1.01 0.00 0.00 64.21 60.86 1ncw n SER 82 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1ncw s VAL 82 N -3.57 3.65 0.37 0.44 -7.23 -0.51 -4.69 120.40 108.86 1ncw s VAL 82 Ca 0.43 0.75 0.04 0.00 -1.81 0.00 0.00 61.98 61.40 1ncw s VAL 82 Cb -0.23 -3.29 -0.03 0.00 0.56 0.00 0.00 36.38 33.39 1ncw s VAL 82 CO 0.90 -0.49 0.15 0.42 -0.31 0.00 0.00 175.10 175.77 1ncw s THR 83 N -2.47 0.49 0.62 5.32 -4.23 -1.26 -0.60 115.64 113.50 1ncw s THR 83 Ca 0.64 -2.00 0.35 0.00 -1.18 0.00 0.00 61.69 59.50 1ncw s THR 83 Cb -0.17 -2.44 0.38 0.00 1.34 0.00 0.00 72.50 71.61 1ncw s THR 83 CO 0.40 0.00 2.25 0.71 -0.54 0.00 0.00 174.62 177.44 1ncw h THR 84 N 1.96 0.31 0.00 3.99 1.35 -1.97 0.49 112.91 119.03 1ncw h THR 84 Ca -0.34 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.52 1ncw h THR 84 Cb 1.26 0.95 0.00 0.00 -1.73 0.00 0.00 68.15 68.63 1ncw h THR 84 CO 0.54 0.00 0.00 -0.62 -0.25 0.00 0.00 175.52 175.19 1ncw n GLU 85 N -3.52 0.07 -0.09 4.72 -0.58 -1.26 -1.83 120.64 118.16 1ncw n GLU 85 Ca -0.02 0.23 0.12 0.00 -0.42 0.00 0.00 57.16 57.07 1ncw n GLU 85 Cb 0.14 -1.50 0.21 0.00 -0.57 0.00 0.00 31.44 29.73 1ncw n GLU 85 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1ncw n ASP 86 N -1.42 2.92 -4.68 1.62 8.00 0.16 -4.89 116.55 118.26 1ncw n ASP 86 Ca 0.04 -1.92 -0.42 0.00 0.71 0.00 0.00 54.79 53.20 1ncw n ASP 86 Cb 0.14 -0.11 -0.03 0.00 -0.02 0.00 0.00 41.12 41.10 1ncw n ASP 86 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1ncw s THR 87 N -1.77 3.00 -0.02 -3.53 2.01 -0.76 -4.83 115.64 109.73 1ncw s THR 87 Ca 0.34 0.29 -0.30 0.00 0.31 0.00 0.00 61.69 62.33 1ncw s THR 87 Cb 0.21 -3.19 0.11 0.00 0.01 0.00 0.00 72.50 69.64 1ncw s THR 87 CO 0.31 -0.01 1.04 0.00 -0.69 0.00 0.00 174.62 175.27 1ncw s ALA 88 N 3.37 -1.91 -0.17 7.40 0.00 -0.86 -4.84 121.76 124.75 1ncw s ALA 88 Ca 0.79 0.95 -0.22 0.00 0.00 0.00 0.00 51.96 53.48 1ncw s ALA 88 Cb -0.41 0.31 -0.02 0.00 0.00 0.00 0.00 23.12 23.00 1ncw s ALA 88 CO 0.35 -0.78 0.69 0.99 0.00 0.00 0.00 175.76 177.01 1ncw s THR 89 N -2.87 4.99 -0.21 0.00 2.01 -0.38 -1.30 115.64 117.88 1ncw s THR 89 Ca 0.09 1.34 -0.09 0.00 0.31 0.00 0.00 61.69 63.34 1ncw s THR 89 Cb -0.00 -4.01 -0.04 0.00 0.01 0.00 0.00 72.50 68.46 1ncw s THR 89 CO -0.05 0.12 0.10 -0.31 -0.69 0.00 0.00 174.62 173.79 1ncw s TYR 90 N 1.75 3.26 -0.04 4.92 1.51 0.41 -0.42 117.35 128.73 1ncw s TYR 90 Ca 0.32 0.07 0.05 0.00 -1.01 0.00 0.00 57.07 56.51 1ncw s TYR 90 Cb -0.16 -2.17 -0.02 0.00 -0.11 0.00 0.00 41.96 39.49 1ncw s TYR 90 CO 0.12 0.06 -0.18 0.71 -1.11 0.00 0.00 175.55 175.14 1ncw s TYR 91 N 0.80 2.58 0.13 2.71 2.02 0.35 -1.00 117.35 124.93 1ncw s TYR 91 Ca 0.05 -0.25 -0.06 0.00 -0.37 0.00 0.00 57.07 56.45 1ncw s TYR 91 Cb -0.13 -1.59 -0.06 0.00 -0.40 0.00 0.00 41.96 39.79 1ncw s TYR 91 CO 0.02 0.11 0.38 0.00 -1.57 0.00 0.00 175.55 174.49 1ncw s ALA 93 N -1.62 -1.37 -0.18 0.00 0.00 -0.20 -0.95 121.76 117.43 1ncw s ALA 93 Ca 0.40 1.78 -0.09 0.00 0.00 0.00 0.00 51.96 54.05 1ncw s ALA 93 Cb -0.12 -1.29 -0.05 0.00 0.00 0.00 0.00 23.12 21.66 1ncw s ALA 93 CO 0.23 -0.58 0.13 0.20 0.00 0.00 0.00 175.76 175.75 1ncw s GLY 94 N 2.15 2.07 0.03 0.00 0.00 -0.20 -0.32 107.32 111.06 1ncw s GLY 94 Ca -0.06 -0.68 0.05 0.00 0.00 0.00 0.00 44.72 44.04 1ncw s GLY 94 CO -0.15 0.01 -0.16 1.08 0.00 0.00 0.00 173.10 173.88 1ncw s LEU 95 N 0.01 2.15 0.35 0.66 1.02 -0.67 -1.42 118.68 120.78 1ncw s LEU 95 Ca 0.10 -0.44 -0.29 0.00 0.02 0.00 0.00 54.13 53.52 1ncw s LEU 95 Cb -0.11 -0.71 -0.11 0.00 0.02 0.00 0.00 46.19 45.28 1ncw s LEU 95 CO -0.00 0.08 1.40 -0.76 0.02 0.00 0.00 176.35 177.09 1ncw s LEU 96 N -1.04 4.38 0.34 1.79 1.43 0.15 -0.68 118.68 125.05 1ncw s LEU 96 Ca 0.03 2.85 0.03 0.00 -1.03 0.00 0.00 54.13 56.02 1ncw s LEU 96 Cb -0.08 -3.66 0.60 0.00 0.03 0.00 0.00 46.19 43.09 1ncw s LEU 96 CO 0.01 -0.70 1.93 -0.25 0.23 0.00 0.00 176.35 177.57 1ncw h TRP 97 N 3.34 0.68 -0.14 0.29 2.91 -1.23 -3.14 115.95 118.66 1ncw h TRP 97 Ca -0.50 -0.03 -0.15 0.00 1.13 0.00 0.00 58.89 59.34 1ncw h TRP 97 Cb 1.23 -0.21 -0.01 0.00 -0.51 0.00 0.00 29.16 29.66 1ncw h TRP 97 CO 0.55 0.54 -0.56 -0.92 -1.03 0.00 0.00 178.44 177.01 1ncw h TYR 98 N 0.68 0.54 0.00 2.65 3.20 -1.91 -3.49 116.97 118.64 1ncw h TYR 98 Ca 0.17 -0.20 0.00 0.00 3.14 0.00 0.00 58.73 61.84 1ncw h TYR 98 Cb 0.14 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.31 1ncw h TYR 98 CO 0.01 0.89 0.00 -0.40 -1.64 0.00 0.00 178.16 177.02 1ncw n ASP 99 N -3.93 -0.25 0.00 -2.11 5.68 -1.19 -5.27 116.55 109.48 1ncw n ASP 99 Ca -0.03 0.11 0.00 0.00 -0.50 0.00 0.00 54.79 54.37 1ncw n ASP 99 Cb 0.60 0.39 0.00 0.00 -1.14 0.00 0.00 41.12 40.97 1ncw n ASP 99 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ncw n GLY 100 N 0.57 0.61 2.37 6.12 0.00 -1.26 -4.97 105.19 108.63 1ncw n GLY 100 Ca 0.00 -1.22 -0.16 0.00 0.00 0.00 0.00 46.02 44.63 1ncw n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ncw n ALA 100 N -1.01 -0.40 -1.67 4.61 0.00 -1.26 -0.68 120.51 120.10 1ncw n ALA 100 Ca 0.00 0.18 -0.45 0.00 0.00 0.00 0.00 53.44 53.16 1ncw n ALA 100 Cb 0.00 -1.80 -0.04 0.00 0.00 0.00 0.00 19.45 17.61 1ncw n ALA 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ncw n GLY 101 N -0.99 1.04 2.76 0.00 0.00 -1.25 -4.77 105.19 101.98 1ncw n GLY 101 Ca -0.19 0.60 -0.23 0.00 0.00 0.00 0.00 46.02 46.21 1ncw n GLY 101 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ncw s SER 102 N 0.73 1.66 0.10 1.61 0.15 -0.51 -4.97 113.70 112.47 1ncw s SER 102 Ca 0.75 -0.13 0.06 0.00 0.70 0.00 0.00 55.95 57.34 1ncw s SER 102 Cb -0.66 -0.44 -0.04 0.00 -1.71 0.00 0.00 66.02 63.17 1ncw s SER 102 CO 0.41 -0.20 -0.07 0.26 1.20 0.00 0.00 173.24 174.84 1ncw s TRP 103 N 1.97 2.81 1.17 3.44 0.52 -1.26 -1.03 118.94 126.56 1ncw s TRP 103 Ca 0.05 -0.12 -0.19 0.00 0.02 0.00 0.00 56.10 55.85 1ncw s TRP 103 Cb -0.13 -1.46 0.28 0.00 -1.15 0.00 0.00 33.47 31.01 1ncw s TRP 103 CO -0.05 0.44 1.16 0.20 0.02 0.00 0.00 176.95 178.72 1ncw s GLY 104 N -2.25 1.63 0.30 0.98 0.00 -0.12 -4.63 107.32 103.23 1ncw s GLY 104 Ca 0.23 -1.07 0.25 0.00 0.00 0.00 0.00 44.72 44.14 1ncw s GLY 104 CO 0.15 -0.18 1.76 0.06 0.00 0.00 0.00 173.10 174.89 1ncw h GLN 105 N -2.45 0.00 0.00 2.90 -0.00 -1.91 -3.46 115.11 110.19 1ncw h GLN 105 Ca -0.44 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.21 1ncw h GLN 105 Cb 1.27 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.75 1ncw h GLN 105 CO 0.32 0.00 0.00 0.41 -0.00 0.00 0.00 178.83 179.56 1ncw n GLY 106 N 0.22 0.18 2.93 0.06 0.00 -1.26 -5.04 105.19 102.27 1ncw n GLY 106 Ca 0.02 -1.50 -0.21 0.00 0.00 0.00 0.00 46.02 44.33 1ncw n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1ncw s THR 107 N -2.21 0.71 0.09 2.61 -1.32 -0.17 -4.91 115.64 110.44 1ncw s THR 107 Ca 0.00 -0.22 -0.30 0.00 -1.21 0.00 0.00 61.69 59.96 1ncw s THR 107 Cb 0.00 -0.70 -0.06 0.00 -1.51 0.00 0.00 72.50 70.23 1ncw s THR 107 CO 0.00 0.26 1.18 -0.22 -2.21 0.00 0.00 174.62 173.64 1ncw s LEU 108 N 0.89 4.40 -0.19 9.08 2.96 -1.26 -0.45 118.68 134.11 1ncw s LEU 108 Ca -0.11 2.05 -0.00 0.00 -0.22 0.00 0.00 54.13 55.85 1ncw s LEU 108 Cb -0.15 -3.59 0.01 0.00 0.50 0.00 0.00 46.19 42.97 1ncw s LEU 108 CO 0.01 -0.42 -0.16 -0.69 -1.32 0.00 0.00 176.35 173.76 1ncw s VAL 109 N 0.75 2.39 -0.23 1.68 1.01 -0.42 -4.49 120.40 121.09 1ncw s VAL 109 Ca 0.57 -0.83 -0.08 0.00 0.00 0.00 0.00 61.98 61.63 1ncw s VAL 109 Cb -0.30 -2.02 -0.04 0.00 0.00 0.00 0.00 36.38 34.02 1ncw s VAL 109 CO 0.31 0.51 0.10 -0.89 0.00 0.00 0.00 175.10 175.13 1ncw s THR 110 N 1.28 4.83 -0.42 3.92 2.01 0.24 -2.03 115.64 125.47 1ncw s THR 110 Ca 0.04 -0.01 -0.15 0.00 0.31 0.00 0.00 61.69 61.88 1ncw s THR 110 Cb -0.14 -3.23 0.03 0.00 0.01 0.00 0.00 72.50 69.17 1ncw s THR 110 CO -0.10 0.37 0.31 -0.69 -0.69 0.00 0.00 174.62 173.83 1ncw s VAL 111 N 1.05 5.24 -0.11 3.82 1.01 -1.26 -1.12 120.40 129.04 1ncw s VAL 111 Ca 0.05 -0.73 -0.31 0.00 0.00 0.00 0.00 61.98 61.00 1ncw s VAL 111 Cb -0.14 -3.95 0.10 0.00 0.00 0.00 0.00 36.38 32.38 1ncw s VAL 111 CO 0.04 -0.35 0.84 -0.55 0.00 0.00 0.00 175.10 175.07 1ncw s SER 112 N 1.83 -0.51 0.00 3.32 0.15 -0.38 -4.47 113.70 113.64 1ncw s SER 112 Ca 0.05 0.57 0.29 0.00 0.70 0.00 0.00 55.95 57.55 1ncw s SER 112 Cb -0.20 0.43 1.18 0.00 -1.71 0.00 0.00 66.02 65.71 1ncw s SER 112 CO 0.09 -0.47 1.84 0.00 1.20 0.00 0.00 173.24 175.90 1ncw n ALA 113 N 0.83 2.77 -1.65 5.45 0.00 -1.26 -4.18 120.51 122.47 1ncw n ALA 113 Ca -0.15 -0.25 -0.32 0.00 0.00 0.00 0.00 53.44 52.72 1ncw n ALA 113 Cb 0.57 -1.34 0.02 0.00 0.00 0.00 0.00 19.45 18.71 1ncw n ALA 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ncw s ALA 114 N -2.57 2.73 0.18 0.00 0.00 -1.26 -4.99 121.76 115.84 1ncw s ALA 114 Ca 0.26 0.36 -0.25 0.00 0.00 0.00 0.00 51.96 52.33 1ncw s ALA 114 Cb 0.20 -3.23 -0.08 0.00 0.00 0.00 0.00 23.12 20.01 1ncw s ALA 114 CO 0.50 -0.87 0.78 -1.59 0.00 0.00 0.00 175.76 174.58 1ncw s LYS 115 N -4.18 4.53 0.26 0.00 -2.85 -1.26 -5.01 119.74 111.23 1ncw s LYS 115 Ca 0.63 1.13 -0.31 0.00 -1.00 0.00 0.00 55.97 56.42 1ncw s LYS 115 Cb -0.16 -3.19 -0.12 0.00 -2.06 0.00 0.00 37.83 32.30 1ncw s LYS 115 CO 0.39 0.54 1.63 2.41 0.10 0.00 0.00 175.35 180.42 1ncw n THR 116 N 1.43 0.65 -3.73 3.79 -1.04 -1.26 -4.66 114.28 109.46 1ncw n THR 116 Ca -0.05 -0.16 -0.16 0.00 -2.04 0.00 0.00 64.05 61.64 1ncw n THR 116 Cb 0.49 -1.94 -0.16 0.00 -1.82 0.00 0.00 70.33 66.90 1ncw n THR 116 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1ncw s THR 117 N 0.41 -0.10 0.45 12.58 2.01 0.16 -4.93 115.64 126.22 1ncw s THR 117 Ca 0.68 0.28 -0.21 0.00 0.31 0.00 0.00 61.69 62.75 1ncw s THR 117 Cb -0.51 -0.17 -0.09 0.00 0.01 0.00 0.00 72.50 71.74 1ncw s THR 117 CO 0.43 0.12 1.01 0.00 -0.69 0.00 0.00 174.62 175.48 1ncw s ALA 118 N 1.54 2.96 0.64 7.40 0.00 -1.26 -1.59 121.76 131.44 1ncw s ALA 118 Ca -0.04 0.55 -0.11 0.00 0.00 0.00 0.00 51.96 52.36 1ncw s ALA 118 Cb -0.12 -3.22 -0.03 0.00 0.00 0.00 0.00 23.12 19.75 1ncw s ALA 118 CO -0.04 -0.15 1.04 -1.25 0.00 0.00 0.00 175.76 175.36 1ncw s PRO 119 N -3.11 3.40 -0.13 0.00 0.04 -1.26 -4.55 135.00 129.39 1ncw s PRO 119 Ca 0.64 0.82 -0.08 0.00 0.04 0.00 0.00 61.00 62.42 1ncw s PRO 119 Cb -0.15 -2.05 -0.04 0.00 0.04 0.00 0.00 34.50 32.30 1ncw s PRO 119 CO 0.19 -0.73 0.16 -1.12 0.04 0.00 0.00 177.00 175.54 1ncw s SER 120 N -4.03 6.38 -0.23 6.66 0.01 -0.51 -4.93 113.70 117.05 1ncw s SER 120 Ca 0.56 0.45 -0.01 0.00 1.31 0.00 0.00 55.95 58.27 1ncw s SER 120 Cb -0.12 -2.09 0.03 0.00 0.21 0.00 0.00 66.02 64.05 1ncw s SER 120 CO 0.54 0.34 -0.10 -0.69 0.41 0.00 0.00 173.24 173.74 1ncw s VAL 121 N -0.68 2.62 -0.09 3.43 1.01 -1.26 -0.35 120.40 125.08 1ncw s VAL 121 Ca 0.14 -1.04 -0.01 0.00 0.00 0.00 0.00 61.98 61.07 1ncw s VAL 121 Cb -0.12 -2.29 -0.03 0.00 0.00 0.00 0.00 36.38 33.94 1ncw s VAL 121 CO 0.03 0.27 -0.06 -0.31 0.00 0.00 0.00 175.10 175.04 1ncw s TYR 122 N 1.30 2.97 0.25 5.22 2.02 0.82 -4.95 117.35 124.97 1ncw s TYR 122 Ca 0.01 -0.07 -0.30 0.00 -0.37 0.00 0.00 57.07 56.34 1ncw s TYR 122 Cb -0.16 -1.78 -0.09 0.00 -0.40 0.00 0.00 41.96 39.53 1ncw s TYR 122 CO -0.07 0.23 0.94 -1.25 -1.57 0.00 0.00 175.55 173.84 1ncw s PRO 123 N -0.49 4.83 -0.57 -1.71 0.04 -1.26 -1.05 135.00 134.78 1ncw s PRO 123 Ca 0.07 1.47 -0.06 0.00 0.04 0.00 0.00 61.00 62.52 1ncw s PRO 123 Cb -0.12 -3.23 0.15 0.00 0.04 0.00 0.00 34.50 31.34 1ncw s PRO 123 CO 0.02 0.50 0.42 -0.51 0.04 0.00 0.00 177.00 177.47 1ncw s LEU 124 N -1.27 5.61 -0.06 -3.56 1.43 0.15 -4.90 118.68 116.07 1ncw s LEU 124 Ca 0.42 -2.40 -0.13 0.00 -1.03 0.00 0.00 54.13 50.98 1ncw s LEU 124 Cb -0.25 -1.95 -0.05 0.00 0.03 0.00 0.00 46.19 43.97 1ncw s LEU 124 CO 0.31 -0.53 0.34 0.00 0.23 0.00 0.00 176.35 176.70 1ncw s ALA 125 N 0.61 3.70 0.56 4.21 0.00 -1.26 -1.29 121.76 128.29 1ncw s ALA 125 Ca 0.12 -0.35 -0.19 0.00 0.00 0.00 0.00 51.96 51.55 1ncw s ALA 125 Cb -0.21 -2.32 -0.05 0.00 0.00 0.00 0.00 23.12 20.54 1ncw s ALA 125 CO -0.03 0.41 1.15 -1.25 0.00 0.00 0.00 175.76 176.03 1ncw s PRO 126 N -0.68 3.23 0.47 0.00 0.04 -1.26 -4.90 135.00 131.90 1ncw s PRO 126 Ca 0.21 1.66 -0.21 0.00 0.04 0.00 0.00 61.00 62.70 1ncw s PRO 126 Cb -0.15 -1.98 -0.08 0.00 0.04 0.00 0.00 34.50 32.33 1ncw s PRO 126 CO 0.10 -0.96 1.06 0.14 0.04 0.00 0.00 177.00 177.37 1ncw s VAL 127 N -1.74 3.66 0.28 -0.36 -7.23 -1.26 -4.50 120.40 109.25 1ncw s VAL 127 Ca 0.74 1.11 0.02 0.00 -1.81 0.00 0.00 61.98 62.03 1ncw s VAL 127 Cb -0.26 -3.49 0.29 0.00 0.56 0.00 0.00 36.38 33.49 1ncw s VAL 127 CO 0.29 -0.15 1.67 0.00 -0.31 0.00 0.00 175.10 176.59 1ncw h GLY 129 N 0.27 0.00 -2.73 0.00 0.00 -2.04 -2.09 103.07 96.49 1ncw h GLY 129 Ca 0.54 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.87 1ncw h GLY 129 CO -0.60 0.00 0.00 1.34 0.00 0.00 0.00 176.54 177.28 1ncw n ASP 130 N -2.39 4.81 -0.81 0.19 2.03 -0.05 -4.35 116.55 115.97 1ncw n ASP 130 Ca 0.02 -2.79 0.07 0.00 0.52 0.00 0.00 54.79 52.62 1ncw n ASP 130 Cb 0.27 -0.59 0.19 0.00 -0.72 0.00 0.00 41.12 40.27 1ncw n ASP 130 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1ncw n THR 133 N 0.41 0.96 0.37 5.18 -2.24 -0.79 -4.57 114.28 113.61 1ncw n THR 133 Ca 0.24 -0.98 0.12 0.00 -2.27 0.00 0.00 64.05 61.16 1ncw n THR 133 Cb 0.99 0.53 0.20 0.00 -2.10 0.00 0.00 70.33 69.95 1ncw n THR 133 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1ncw n THR 134 N 0.79 0.45 -2.35 4.28 -2.24 -1.26 -4.97 114.28 108.99 1ncw n THR 134 Ca 0.15 -0.73 -0.05 0.00 -2.27 0.00 0.00 64.05 61.15 1ncw n THR 134 Cb 0.47 1.04 0.02 0.00 -2.10 0.00 0.00 70.33 69.77 1ncw n THR 134 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ncw n GLY 135 N 1.45 0.80 0.17 3.38 0.00 -1.26 -5.03 105.19 104.70 1ncw n GLY 135 Ca 0.18 -1.98 0.10 0.00 0.00 0.00 0.00 46.02 44.33 1ncw n GLY 135 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1ncw h SER 136 N -0.12 0.00 -2.17 1.61 4.64 -1.97 -3.42 113.55 112.13 1ncw h SER 136 Ca -0.07 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.66 1ncw h SER 136 Cb 0.25 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 62.22 1ncw h SER 136 CO 0.07 0.07 -0.71 -0.44 -0.87 0.00 0.00 176.83 174.95 1ncw s SER 137 N -5.91 3.93 0.00 4.97 0.01 -1.26 -0.26 113.70 115.17 1ncw s SER 137 Ca 0.04 -0.92 0.00 0.00 1.31 0.00 0.00 55.95 56.38 1ncw s SER 137 Cb 0.07 -0.48 -0.00 0.00 0.21 0.00 0.00 66.02 65.82 1ncw s SER 137 CO 0.73 -0.01 -0.01 0.54 0.41 0.00 0.00 173.24 174.89 1ncw s VAL 138 N -2.46 0.09 -0.10 3.43 0.11 0.11 -4.60 120.40 116.97 1ncw s VAL 138 Ca 0.31 -0.12 -0.01 0.00 -2.93 0.00 0.00 61.98 59.23 1ncw s VAL 138 Cb -0.05 -0.09 -0.03 0.00 -1.53 0.00 0.00 36.38 34.68 1ncw s VAL 138 CO 0.17 -0.02 -0.04 -0.89 -3.33 0.00 0.00 175.10 170.99 1ncw s THR 139 N -0.14 3.90 0.39 5.04 2.01 -1.26 -1.43 115.64 124.15 1ncw s THR 139 Ca -0.01 -0.39 0.04 0.00 0.31 0.00 0.00 61.69 61.64 1ncw s THR 139 Cb -0.01 -2.65 -0.04 0.00 0.01 0.00 0.00 72.50 69.81 1ncw s THR 139 CO -0.00 0.56 0.08 -0.76 -0.69 0.00 0.00 174.62 173.81 1ncw s LEU 140 N -0.39 2.16 0.00 4.42 1.02 0.10 -4.37 118.68 121.62 1ncw s LEU 140 Ca 0.06 -1.53 -0.13 0.00 0.02 0.00 0.00 54.13 52.55 1ncw s LEU 140 Cb -0.12 -0.35 0.05 0.00 0.02 0.00 0.00 46.19 45.79 1ncw s LEU 140 CO 0.02 -0.76 0.65 0.61 0.02 0.00 0.00 176.35 176.90 1ncw n GLY 141 N -0.86 1.04 3.10 -3.19 0.00 -0.41 -1.03 105.19 103.84 1ncw n GLY 141 Ca -0.06 -1.14 -0.13 0.00 0.00 0.00 0.00 46.02 44.69 1ncw n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ncw s LEU 143 N 0.28 2.54 -0.42 0.00 2.96 -0.21 -1.44 118.68 122.38 1ncw s LEU 143 Ca -0.01 -0.75 -0.10 0.00 -0.22 0.00 0.00 54.13 53.04 1ncw s LEU 143 Cb -0.03 -1.54 0.07 0.00 0.50 0.00 0.00 46.19 45.19 1ncw s LEU 143 CO -0.01 -0.05 0.27 -0.69 -1.32 0.00 0.00 176.35 174.56 1ncw s VAL 144 N 1.29 4.37 0.01 1.68 1.01 0.80 -0.13 120.40 129.42 1ncw s VAL 144 Ca 0.02 -1.33 0.08 0.00 0.00 0.00 0.00 61.98 60.76 1ncw s VAL 144 Cb -0.15 -3.65 -0.02 0.00 0.00 0.00 0.00 36.38 32.56 1ncw s VAL 144 CO -0.10 -0.50 -0.25 -0.75 0.00 0.00 0.00 175.10 173.50 1ncw s LYS 145 N 1.46 2.00 0.00 2.72 2.20 0.53 -0.63 119.74 128.02 1ncw s LYS 145 Ca 0.03 -0.99 0.00 0.00 -0.36 0.00 0.00 55.97 54.65 1ncw s LYS 145 Cb -0.23 -2.04 0.00 0.00 -1.51 0.00 0.00 37.83 34.06 1ncw s LYS 145 CO 0.03 0.54 0.00 0.41 -0.36 0.00 0.00 175.35 175.97 1ncw n GLY 146 N 2.14 0.90 3.62 5.54 0.00 -0.10 -1.42 105.19 115.87 1ncw n GLY 146 Ca -0.16 -0.69 -0.23 0.00 0.00 0.00 0.00 46.02 44.94 1ncw n GLY 146 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1ncw s TYR 147 N -2.86 2.61 -0.23 1.61 1.13 -0.88 -4.41 117.35 114.32 1ncw s TYR 147 Ca 0.00 -0.28 -0.25 0.00 -1.41 0.00 0.00 57.07 55.12 1ncw s TYR 147 Cb 0.00 -1.25 0.07 0.00 -1.10 0.00 0.00 41.96 39.68 1ncw s TYR 147 CO 0.00 0.59 0.70 0.12 -2.51 0.00 0.00 175.55 174.45 1ncw s PHE 148 N -2.39 -0.75 0.58 -3.49 5.36 -0.62 -0.46 117.98 116.21 1ncw s PHE 148 Ca 0.32 1.76 -0.05 0.00 -0.96 0.00 0.00 56.93 58.00 1ncw s PHE 148 Cb -0.05 0.28 0.12 0.00 -0.34 0.00 0.00 43.02 43.04 1ncw s PHE 148 CO 0.19 -0.41 0.79 -0.35 -1.46 0.00 0.00 175.22 173.99 1ncw n PRO 149 N 2.43 -0.34 -1.24 10.12 -0.04 -1.26 -0.66 135.00 144.00 1ncw n PRO 149 Ca -0.15 -1.67 -0.31 0.00 -0.04 0.00 0.00 63.50 61.33 1ncw n PRO 149 Cb 0.55 -0.68 0.10 0.00 -0.04 0.00 0.00 33.50 33.44 1ncw n PRO 149 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1ncw s GLU 150 N -4.60 2.01 0.50 0.54 0.41 -1.26 -4.74 118.70 111.56 1ncw s GLU 150 Ca 0.49 1.08 0.06 0.00 -0.41 0.00 0.00 54.97 56.19 1ncw s GLU 150 Cb -0.02 -1.87 0.04 0.00 -1.78 0.00 0.00 34.13 30.49 1ncw s GLU 150 CO 0.33 -1.79 0.69 -1.25 -0.49 0.00 0.00 175.26 172.75 1ncw s PRO 151 N -4.91 2.58 0.31 0.39 0.04 -1.26 -4.96 135.00 127.19 1ncw s PRO 151 Ca 0.62 -1.18 0.09 0.00 0.04 0.00 0.00 61.00 60.57 1ncw s PRO 151 Cb -0.17 -2.64 -0.04 0.00 0.04 0.00 0.00 34.50 31.68 1ncw s PRO 151 CO 0.56 -0.58 0.07 0.14 0.04 0.00 0.00 177.00 177.24 1ncw s VAL 152 N -2.57 3.13 0.03 -0.36 -7.23 -1.26 -4.41 120.40 107.73 1ncw s VAL 152 Ca 0.58 -1.82 0.06 0.00 -1.81 0.00 0.00 61.98 58.99 1ncw s VAL 152 Cb -0.09 -2.91 -0.03 0.00 0.56 0.00 0.00 36.38 33.91 1ncw s VAL 152 CO 0.36 -0.26 -0.16 0.42 -0.31 0.00 0.00 175.10 175.15 1ncw s THR 153 N -2.40 2.92 -0.03 5.32 -4.23 -0.42 -4.97 115.64 111.83 1ncw s THR 153 Ca 0.35 -1.10 -0.01 0.00 -1.18 0.00 0.00 61.69 59.75 1ncw s THR 153 Cb -0.04 -2.23 0.03 0.00 1.34 0.00 0.00 72.50 71.60 1ncw s THR 153 CO 0.21 0.36 0.04 -0.22 -0.54 0.00 0.00 174.62 174.48 1ncw s LEU 154 N -1.39 0.65 0.28 4.79 0.20 -1.26 -1.36 118.68 120.60 1ncw s LEU 154 Ca 0.15 0.06 0.04 0.00 0.69 0.00 0.00 54.13 55.06 1ncw s LEU 154 Cb -0.11 -0.10 -0.06 0.00 -0.43 0.00 0.00 46.19 45.49 1ncw s LEU 154 CO 0.05 -0.18 0.02 0.42 -0.29 0.00 0.00 176.35 176.37 1ncw s THR 156 N 1.57 1.16 -0.07 3.68 -4.23 -0.33 -4.98 115.64 112.44 1ncw s THR 156 Ca -0.03 -2.03 0.05 0.00 -1.18 0.00 0.00 61.69 58.50 1ncw s THR 156 Cb -0.13 -2.59 -0.01 0.00 1.34 0.00 0.00 72.50 71.12 1ncw s THR 156 CO -0.03 -0.15 -0.22 0.26 -0.54 0.00 0.00 174.62 173.94 1ncw s TRP 157 N -3.33 2.53 -1.53 3.99 0.52 -1.26 -0.53 118.94 119.32 1ncw s TRP 157 Ca 0.33 -0.72 -0.05 0.00 0.02 0.00 0.00 56.10 55.69 1ncw s TRP 157 Cb 0.07 -1.65 0.04 0.00 -1.15 0.00 0.00 33.47 30.78 1ncw s TRP 157 CO 0.13 -0.21 0.36 0.09 0.02 0.00 0.00 176.95 177.33 1ncw n ASN 162 N 3.06 -0.50 -1.31 2.95 3.02 0.07 -1.44 115.26 121.12 1ncw n ASN 162 Ca -0.18 -1.11 -0.16 0.00 -0.03 0.00 0.00 54.58 53.10 1ncw n ASN 162 Cb 0.52 -2.44 -0.06 0.00 -0.61 0.00 0.00 39.78 37.19 1ncw n ASN 162 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1ncw n SER 163 N -2.87 -4.89 0.00 6.41 7.64 -1.26 -1.42 113.62 117.23 1ncw n SER 163 Ca -0.22 0.33 0.00 0.00 1.01 0.00 0.00 58.87 59.99 1ncw n SER 163 Cb 0.64 -3.83 0.00 0.00 -1.01 0.00 0.00 64.21 60.02 1ncw n SER 163 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ncw n GLY 164 N -1.02 0.70 0.20 0.23 0.00 -0.52 -4.92 105.19 99.86 1ncw n GLY 164 Ca -0.16 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.94 1ncw n GLY 164 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1ncw h SER 165 N 0.00 0.00 -3.21 1.61 4.64 -1.15 -3.37 113.55 112.07 1ncw h SER 165 Ca 0.00 0.00 -0.74 0.00 -0.47 0.00 0.00 61.79 60.58 1ncw h SER 165 Cb 0.00 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 61.84 1ncw h SER 165 CO 0.00 0.27 -0.30 -0.22 -0.87 0.00 0.00 176.83 175.71 1ncw s LEU 166 N -6.65 5.88 0.00 5.97 2.96 -0.94 -4.87 118.68 121.03 1ncw s LEU 166 Ca 0.02 -1.68 0.00 0.00 -0.22 0.00 0.00 54.13 52.25 1ncw s LEU 166 Cb 0.09 -2.15 0.00 0.00 0.50 0.00 0.00 46.19 44.63 1ncw s LEU 166 CO 0.66 -0.75 0.00 -1.54 -1.32 0.00 0.00 176.35 173.40 1ncw n SER 167 N 5.15 3.54 -4.79 3.68 3.41 -1.26 -4.17 113.62 119.17 1ncw n SER 167 Ca -0.12 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.15 1ncw n SER 167 Cb 0.41 0.54 -0.03 0.00 -0.26 0.00 0.00 64.21 64.87 1ncw n SER 167 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1ncw s SER 168 N -1.90 6.26 -0.91 4.04 0.01 -1.26 -3.86 113.70 116.09 1ncw s SER 168 Ca 0.00 1.96 0.00 0.00 1.31 0.00 0.00 55.95 59.22 1ncw s SER 168 Cb 0.00 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.67 1ncw s SER 168 CO 0.00 -0.84 0.00 0.61 0.41 0.00 0.00 173.24 173.42 1ncw n GLY 169 N -0.20 0.96 3.66 3.44 0.00 -1.26 -4.72 105.19 107.06 1ncw n GLY 169 Ca 0.10 -0.63 -0.35 0.00 0.00 0.00 0.00 46.02 45.13 1ncw n GLY 169 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ncw s VAL 171 N -2.33 4.46 -0.23 1.61 1.01 -1.25 -1.34 120.40 122.33 1ncw s VAL 171 Ca 0.00 -0.17 0.01 0.00 0.00 0.00 0.00 61.98 61.81 1ncw s VAL 171 Cb 0.00 -2.93 0.06 0.00 0.00 0.00 0.00 36.38 33.51 1ncw s VAL 171 CO 0.00 0.55 -0.06 -1.00 0.00 0.00 0.00 175.10 174.60 1ncw s HIS 172 N -0.39 2.33 -0.23 5.22 3.76 -0.18 -4.99 115.29 120.82 1ncw s HIS 172 Ca 0.08 -1.68 -0.08 0.00 -0.15 0.00 0.00 55.06 53.23 1ncw s HIS 172 Cb -0.12 -1.56 -0.04 0.00 1.11 0.00 0.00 32.58 31.97 1ncw s HIS 172 CO 0.02 -0.76 0.08 0.99 -0.85 0.00 0.00 174.74 174.22 1ncw s THR 173 N 1.42 4.62 0.20 1.30 2.01 -1.26 -0.32 115.64 123.61 1ncw s THR 173 Ca -0.05 -0.08 -0.05 0.00 0.31 0.00 0.00 61.69 61.82 1ncw s THR 173 Cb -0.18 -3.14 -0.06 0.00 0.01 0.00 0.00 72.50 69.13 1ncw s THR 173 CO -0.06 0.37 0.46 -0.36 -0.69 0.00 0.00 174.62 174.33 1ncw s PHE 174 N 1.20 3.47 0.37 4.92 0.40 -0.12 -5.01 117.98 123.20 1ncw s PHE 174 Ca 0.05 0.61 -0.27 0.00 -0.60 0.00 0.00 56.93 56.72 1ncw s PHE 174 Cb -0.14 -2.06 -0.11 0.00 0.51 0.00 0.00 43.02 41.22 1ncw s PHE 174 CO 0.04 0.33 1.26 -2.30 0.70 0.00 0.00 175.22 175.24 1ncw n PRO 175 N -0.32 1.99 -1.96 0.24 -0.02 -1.26 -4.44 135.00 129.22 1ncw n PRO 175 Ca -0.02 0.70 -0.35 0.00 -2.02 0.00 0.00 63.50 61.82 1ncw n PRO 175 Cb 0.53 -2.31 0.03 0.00 -0.02 0.00 0.00 33.50 31.73 1ncw n PRO 175 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ncw s ALA 176 N -1.14 2.52 -0.10 3.55 0.00 -1.26 -4.77 121.76 120.57 1ncw s ALA 176 Ca 0.58 0.82 -0.01 0.00 0.00 0.00 0.00 51.96 53.34 1ncw s ALA 176 Cb -0.55 -3.39 -0.03 0.00 0.00 0.00 0.00 23.12 19.15 1ncw s ALA 176 CO 0.61 -1.15 -0.06 0.08 0.00 0.00 0.00 175.76 175.24 1ncw s VAL 177 N -1.89 3.78 -0.17 0.00 1.01 0.50 -4.93 120.40 118.70 1ncw s VAL 177 Ca 0.73 -0.43 -0.12 0.00 0.00 0.00 0.00 61.98 62.16 1ncw s VAL 177 Cb -0.26 -2.59 -0.05 0.00 0.00 0.00 0.00 36.38 33.49 1ncw s VAL 177 CO 0.35 0.56 0.23 -0.22 0.00 0.00 0.00 175.10 176.01 1ncw s LEU 178 N -0.37 4.24 -0.13 3.92 2.96 -1.26 -1.15 118.68 126.89 1ncw s LEU 178 Ca 0.06 0.41 -0.08 0.00 -0.22 0.00 0.00 54.13 54.29 1ncw s LEU 178 Cb -0.12 -2.26 0.05 0.00 0.50 0.00 0.00 46.19 44.36 1ncw s LEU 178 CO 0.02 0.14 0.32 -1.58 -1.32 0.00 0.00 176.35 173.94 1ncw s GLN 179 N 0.36 0.31 -1.40 1.98 0.74 0.20 -4.93 119.66 116.92 1ncw s GLN 179 Ca 0.13 0.61 -0.07 0.00 0.05 0.00 0.00 55.36 56.08 1ncw s GLN 179 Cb -0.12 -0.02 0.04 0.00 1.10 0.00 0.00 33.01 34.00 1ncw s GLN 179 CO 0.02 -0.14 0.91 0.43 -0.55 0.00 0.00 175.29 175.96 1ncw n SER 180 N 3.97 -3.42 -2.00 6.67 7.64 -1.26 -1.73 113.62 123.48 1ncw n SER 180 Ca -0.22 -0.75 -0.16 0.00 1.01 0.00 0.00 58.87 58.75 1ncw n SER 180 Cb 0.55 -4.20 -0.03 0.00 -1.01 0.00 0.00 64.21 59.51 1ncw n SER 180 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1ncw n ASP 183 N -2.97 -4.54 -4.02 6.43 8.00 -1.26 -4.97 116.55 113.22 1ncw n ASP 183 Ca -0.12 0.23 -0.15 0.00 0.71 0.00 0.00 54.79 55.46 1ncw n ASP 183 Cb 0.60 -3.95 -0.13 0.00 -0.02 0.00 0.00 41.12 37.62 1ncw n ASP 183 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1ncw s LEU 184 N -5.06 2.11 0.03 0.64 1.43 -0.71 -4.71 118.68 112.42 1ncw s LEU 184 Ca 0.00 -0.30 -0.00 0.00 -1.03 0.00 0.00 54.13 52.80 1ncw s LEU 184 Cb 0.00 -0.28 -0.04 0.00 0.03 0.00 0.00 46.19 45.90 1ncw s LEU 184 CO 0.00 -0.03 0.15 -0.31 0.23 0.00 0.00 176.35 176.39 1ncw s TYR 185 N -0.65 3.42 -0.04 0.29 2.02 0.40 -0.63 117.35 122.16 1ncw s TYR 185 Ca -0.02 0.24 0.04 0.00 -0.37 0.00 0.00 57.07 56.96 1ncw s TYR 185 Cb -0.06 -1.75 -0.00 0.00 -0.40 0.00 0.00 41.96 39.75 1ncw s TYR 185 CO 0.00 0.59 -0.14 0.99 -1.57 0.00 0.00 175.55 175.42 1ncw s THR 186 N -1.36 1.17 0.04 -0.71 2.01 -0.30 -0.92 115.64 115.57 1ncw s THR 186 Ca 0.29 -0.57 0.05 0.00 0.31 0.00 0.00 61.69 61.77 1ncw s THR 186 Cb -0.13 -1.02 -0.02 0.00 0.01 0.00 0.00 72.50 71.34 1ncw s THR 186 CO 0.21 0.35 -0.14 -0.22 -0.69 0.00 0.00 174.62 174.13 1ncw s LEU 187 N 0.12 2.18 0.19 4.42 0.20 0.19 -0.37 118.68 125.61 1ncw s LEU 187 Ca -0.04 -0.48 0.08 0.00 0.69 0.00 0.00 54.13 54.39 1ncw s LEU 187 Cb -0.10 -0.58 -0.04 0.00 -0.43 0.00 0.00 46.19 45.03 1ncw s LEU 187 CO 0.02 0.01 -0.16 -0.94 -0.29 0.00 0.00 176.35 174.99 1ncw s SER 188 N -1.21 2.59 -0.03 3.68 1.04 -1.26 -0.14 113.70 118.36 1ncw s SER 188 Ca 0.01 -0.96 -0.02 0.00 0.48 0.00 0.00 55.95 55.46 1ncw s SER 188 Cb -0.08 -0.14 0.01 0.00 0.10 0.00 0.00 66.02 65.91 1ncw s SER 188 CO 0.01 -0.12 0.07 -0.55 0.98 0.00 0.00 173.24 173.64 1ncw s SER 189 N -3.05 -0.06 0.17 7.02 0.15 -0.52 -0.95 113.70 116.46 1ncw s SER 189 Ca 0.20 0.15 0.09 0.00 0.70 0.00 0.00 55.95 57.08 1ncw s SER 189 Cb -0.03 0.12 -0.04 0.00 -1.71 0.00 0.00 66.02 64.36 1ncw s SER 189 CO 0.07 -0.05 -0.08 -0.94 1.20 0.00 0.00 173.24 173.43 1ncw s SER 190 N 0.32 4.34 -0.01 5.45 1.04 0.56 -1.09 113.70 124.32 1ncw s SER 190 Ca -0.02 -0.54 0.01 0.00 0.48 0.00 0.00 55.95 55.87 1ncw s SER 190 Cb -0.04 -0.77 0.00 0.00 0.10 0.00 0.00 66.02 65.31 1ncw s SER 190 CO -0.01 0.11 -0.02 0.54 0.98 0.00 0.00 173.24 174.83 1ncw s VAL 191 N -1.68 0.18 -0.11 5.02 0.11 -0.19 -1.01 120.40 122.72 1ncw s VAL 191 Ca 0.25 -0.07 0.03 0.00 -2.93 0.00 0.00 61.98 59.26 1ncw s VAL 191 Cb -0.09 -0.18 0.01 0.00 -1.53 0.00 0.00 36.38 34.59 1ncw s VAL 191 CO 0.16 0.07 -0.20 -0.89 -3.33 0.00 0.00 175.10 170.91 1ncw s THR 192 N 0.14 1.81 0.23 5.04 2.01 -0.45 -0.72 115.64 123.71 1ncw s THR 192 Ca -0.01 -0.85 0.04 0.00 0.31 0.00 0.00 61.69 61.18 1ncw s THR 192 Cb -0.03 -1.60 -0.05 0.00 0.01 0.00 0.00 72.50 70.83 1ncw s THR 192 CO -0.00 0.50 -0.02 0.68 -0.69 0.00 0.00 174.62 175.09 1ncw s VAL 193 N 0.66 1.15 0.13 3.82 -7.23 -0.51 -4.68 120.40 113.74 1ncw s VAL 193 Ca -0.12 -2.05 -0.31 0.00 -1.81 0.00 0.00 61.98 57.68 1ncw s VAL 193 Cb -0.16 -2.31 -0.10 0.00 0.56 0.00 0.00 36.38 34.36 1ncw s VAL 193 CO 0.03 -0.36 1.71 -0.89 -0.31 0.00 0.00 175.10 175.27 1ncw s THR 194 N -3.34 2.60 0.38 5.32 2.01 -1.26 -0.71 115.64 120.64 1ncw s THR 194 Ca 0.27 0.25 0.05 0.00 0.31 0.00 0.00 61.69 62.58 1ncw s THR 194 Cb 0.05 -3.16 0.25 0.00 0.01 0.00 0.00 72.50 69.64 1ncw s THR 194 CO 0.08 0.01 2.01 -1.28 -0.69 0.00 0.00 174.62 174.75 1ncw h SER 195 N 7.82 0.55 0.50 3.53 0.87 -0.88 -0.10 113.55 125.85 1ncw h SER 195 Ca -0.44 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.09 1ncw h SER 195 Cb 1.21 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 63.03 1ncw h SER 195 CO 0.94 0.44 0.00 0.77 -0.53 0.00 0.00 176.83 178.44 1ncw h SER 196 N 0.64 0.00 0.77 6.23 4.64 -1.87 -1.98 113.55 121.97 1ncw h SER 196 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1ncw h SER 196 Cb -0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1ncw h SER 196 CO -0.03 0.00 -0.05 0.35 -0.87 0.00 0.00 176.83 176.23 1ncw n THR 198 N -2.32 0.00 -4.87 2.95 -2.24 -0.05 -4.77 114.28 102.98 1ncw n THR 198 Ca 0.01 -0.01 -0.26 0.00 -2.27 0.00 0.00 64.05 61.52 1ncw n THR 198 Cb 0.17 -0.40 -0.16 0.00 -2.10 0.00 0.00 70.33 67.84 1ncw n THR 198 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1ncw s TRP 199 N -2.82 1.73 -1.58 4.78 -0.00 -0.74 -0.48 118.94 119.83 1ncw s TRP 199 Ca 0.20 -0.45 0.09 0.00 -0.00 0.00 0.00 56.10 55.94 1ncw s TRP 199 Cb 0.19 -1.15 0.33 0.00 -0.00 0.00 0.00 33.47 32.85 1ncw s TRP 199 CO 0.52 -0.13 1.20 -0.35 -0.00 0.00 0.00 176.95 178.19 1ncw n PRO 200 N 2.99 2.13 0.01 5.86 -0.04 -1.26 -4.95 135.00 139.74 1ncw n PRO 200 Ca -0.17 -1.33 0.03 0.00 -0.04 0.00 0.00 63.50 61.99 1ncw n PRO 200 Cb 0.53 -1.46 0.38 0.00 -0.04 0.00 0.00 33.50 32.92 1ncw n PRO 200 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1ncw h SER 202 N 1.99 0.46 -3.58 3.54 0.02 -1.83 -3.35 113.55 110.81 1ncw h SER 202 Ca 0.00 -0.04 -0.71 0.00 -0.84 0.00 0.00 61.79 60.20 1ncw h SER 202 Cb 0.70 -0.12 -0.26 0.00 0.14 0.00 0.00 62.40 62.86 1ncw h SER 202 CO 0.07 0.41 -0.53 -1.10 -1.14 0.00 0.00 176.83 174.55 1ncw s GLN 203 N -5.29 2.75 0.77 3.45 -0.21 0.37 -5.08 119.66 116.41 1ncw s GLN 203 Ca -0.08 -1.15 -0.11 0.00 0.02 0.00 0.00 55.36 54.04 1ncw s GLN 203 Cb 0.17 -3.69 0.05 0.00 1.00 0.00 0.00 33.01 30.54 1ncw s GLN 203 CO 0.74 -0.73 1.08 -1.54 -2.12 0.00 0.00 175.29 172.72 1ncw s SER 204 N 1.60 4.69 -0.08 5.90 1.04 -1.26 -4.65 113.70 120.95 1ncw s SER 204 Ca 0.01 1.52 0.00 0.00 0.48 0.00 0.00 55.95 57.97 1ncw s SER 204 Cb -0.20 -2.30 0.02 0.00 0.10 0.00 0.00 66.02 63.65 1ncw s SER 204 CO 0.05 -1.87 -0.06 -0.63 0.98 0.00 0.00 173.24 171.72 1ncw s ILE 205 N -3.05 0.78 -0.06 -1.02 1.01 -1.26 -4.97 121.20 112.63 1ncw s ILE 205 Ca 0.60 -0.19 0.03 0.00 0.00 0.00 0.00 60.65 61.10 1ncw s ILE 205 Cb -0.15 -0.81 0.00 0.00 0.01 0.00 0.00 42.46 41.51 1ncw s ILE 205 CO 0.55 0.31 -0.16 -0.89 0.00 0.00 0.00 174.94 174.75 1ncw s THR 206 N 1.39 1.35 -0.16 2.92 2.01 -1.26 -0.76 115.64 121.13 1ncw s THR 206 Ca -0.02 -0.64 -0.13 0.00 0.31 0.00 0.00 61.69 61.21 1ncw s THR 206 Cb -0.13 -1.19 -0.05 0.00 0.01 0.00 0.00 72.50 71.14 1ncw s THR 206 CO -0.03 0.40 0.25 0.00 -0.69 0.00 0.00 174.62 174.54 1ncw s ASN 209 N 0.31 5.51 -0.08 0.00 -0.87 0.31 -0.40 114.94 119.73 1ncw s ASN 209 Ca 0.14 -0.97 0.03 0.00 -1.57 0.00 0.00 52.86 50.50 1ncw s ASN 209 Cb -0.13 -1.96 -0.02 0.00 -0.02 0.00 0.00 41.25 39.13 1ncw s ASN 209 CO 0.03 -0.33 -0.15 -0.69 -2.57 0.00 0.00 177.10 173.39 1ncw s VAL 210 N 1.50 2.94 -0.02 1.60 1.01 0.09 -1.19 120.40 126.34 1ncw s VAL 210 Ca 0.01 -0.74 0.04 0.00 0.00 0.00 0.00 61.98 61.29 1ncw s VAL 210 Cb -0.19 -2.17 -0.01 0.00 0.00 0.00 0.00 36.38 34.01 1ncw s VAL 210 CO 0.05 0.57 -0.15 0.00 0.00 0.00 0.00 175.10 175.57 1ncw s ALA 211 N -0.31 1.28 -0.54 5.51 0.00 -0.47 -0.95 121.76 126.28 1ncw s ALA 211 Ca 0.02 -0.63 0.04 0.00 0.00 0.00 0.00 51.96 51.40 1ncw s ALA 211 Cb -0.13 -0.37 0.14 0.00 0.00 0.00 0.00 23.12 22.76 1ncw s ALA 211 CO 0.03 0.28 0.30 -1.58 0.00 0.00 0.00 175.76 174.78 1ncw s HIS 212 N -0.20 3.13 0.37 0.00 2.46 -0.11 -1.30 115.29 119.64 1ncw s HIS 212 Ca 0.03 -3.14 0.11 0.00 0.47 0.00 0.00 55.06 52.53 1ncw s HIS 212 Cb -0.08 -2.71 0.89 0.00 -0.13 0.00 0.00 32.58 30.56 1ncw s HIS 212 CO 0.00 -0.71 1.86 -1.35 -2.47 0.00 0.00 174.74 172.07 1ncw h PRO 213 N 6.33 0.59 0.00 2.88 0.11 -1.81 -1.85 132.00 138.25 1ncw h PRO 213 Ca -0.04 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.00 1ncw h PRO 213 Cb 0.87 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 31.84 1ncw h PRO 213 CO 0.67 0.39 -0.16 0.00 -0.21 0.00 0.00 178.00 178.69 1ncw h ALA 214 N 1.61 1.59 -0.42 -0.75 0.00 -1.92 -1.60 119.26 117.77 1ncw h ALA 214 Ca 0.45 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1ncw h ALA 214 Cb 0.84 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1ncw h ALA 214 CO -0.20 0.21 0.00 -1.13 0.00 0.00 0.00 179.25 178.12 1ncw n SER 215 N -4.15 3.23 -2.84 0.00 3.41 -0.82 -4.99 113.62 107.46 1ncw n SER 215 Ca -0.02 -1.93 -0.21 0.00 -0.26 0.00 0.00 58.87 56.44 1ncw n SER 215 Cb 0.24 -0.28 0.02 0.00 -0.26 0.00 0.00 64.21 63.93 1ncw n SER 215 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1ncw n SER 216 N 1.09 -5.61 -4.45 4.04 7.64 -0.60 -4.97 113.62 110.76 1ncw n SER 216 Ca 0.16 -0.18 -0.33 0.00 1.01 0.00 0.00 58.87 59.54 1ncw n SER 216 Cb 0.51 -4.59 -0.14 0.00 -1.01 0.00 0.00 64.21 58.98 1ncw n SER 216 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1ncw s THR 217 N -3.06 2.92 0.01 0.44 2.01 -1.10 -5.00 115.64 111.84 1ncw s THR 217 Ca 0.20 -0.78 0.05 0.00 0.31 0.00 0.00 61.69 61.48 1ncw s THR 217 Cb -0.09 -2.13 -0.02 0.00 0.01 0.00 0.00 72.50 70.27 1ncw s THR 217 CO 0.25 0.59 -0.15 -0.54 -0.69 0.00 0.00 174.62 174.08 1ncw s LYS 218 N -0.68 1.15 -0.07 4.92 1.02 -1.26 -0.94 119.74 123.88 1ncw s LYS 218 Ca 0.10 -0.64 0.02 0.00 0.02 0.00 0.00 55.97 55.47 1ncw s LYS 218 Cb -0.11 -1.14 0.02 0.00 -0.52 0.00 0.00 37.83 36.08 1ncw s LYS 218 CO 0.00 0.30 -0.11 0.08 -0.92 0.00 0.00 175.35 174.71 1ncw s VAL 219 N -0.53 1.07 -0.43 3.17 1.01 -0.12 -5.01 120.40 119.56 1ncw s VAL 219 Ca 0.05 -0.41 -0.05 0.00 0.00 0.00 0.00 61.98 61.56 1ncw s VAL 219 Cb -0.07 -1.01 0.11 0.00 0.00 0.00 0.00 36.38 35.42 1ncw s VAL 219 CO 0.00 0.35 0.26 -1.81 0.00 0.00 0.00 175.10 173.90 1ncw s ASP 220 N 0.91 5.43 -0.37 3.32 1.01 -1.26 -0.73 116.67 124.98 1ncw s ASP 220 Ca -0.10 -2.00 -0.11 0.00 0.71 0.00 0.00 52.55 51.06 1ncw s ASP 220 Cb -0.15 -1.90 0.02 0.00 1.01 0.00 0.00 42.92 41.91 1ncw s ASP 220 CO 0.01 -0.60 0.20 -0.75 0.21 0.00 0.00 175.17 174.24 1ncw s LYS 221 N 1.21 2.89 0.14 8.23 2.47 0.47 -4.92 119.74 130.24 1ncw s LYS 221 Ca 0.07 -1.03 -0.30 0.00 -1.56 0.00 0.00 55.97 53.15 1ncw s LYS 221 Cb -0.24 -3.71 -0.07 0.00 -1.46 0.00 0.00 37.83 32.35 1ncw s LYS 221 CO -0.03 -0.66 1.15 0.21 0.16 0.00 0.00 175.35 176.18 1ncw s LYS 222 N 1.56 4.52 -0.38 4.03 2.20 -1.26 -0.77 119.74 129.63 1ncw s LYS 222 Ca 0.02 1.77 -0.25 0.00 -0.36 0.00 0.00 55.97 57.15 1ncw s LYS 222 Cb -0.19 -3.29 0.02 0.00 -1.51 0.00 0.00 37.83 32.86 1ncw s LYS 222 CO 0.07 -0.07 0.90 0.42 -0.36 0.00 0.00 175.35 176.31 1ncw s ILE 223 N 0.22 4.59 -0.03 5.43 -1.09 0.06 -4.96 121.20 125.42 1ncw s ILE 223 Ca 0.53 1.06 -0.14 0.00 -2.23 0.00 0.00 60.65 59.87 1ncw s ILE 223 Cb -0.30 -4.33 -0.05 0.00 -1.58 0.00 0.00 42.46 36.20 1ncw s ILE 223 CO 0.34 -0.57 0.38 -1.61 -1.23 0.00 0.00 174.94 172.24 1ncw s GLU 226 N 3.46 3.90 0.70 2.79 0.41 -1.26 -4.68 118.70 124.02 1ncw s GLU 226 Ca 0.37 0.34 -0.16 0.00 -0.41 0.00 0.00 54.97 55.10 1ncw s GLU 226 Cb -0.12 -3.24 0.01 0.00 -1.78 0.00 0.00 34.13 29.01 1ncw s GLU 226 CO 0.20 0.65 1.18 -2.30 -0.49 0.00 0.00 175.26 174.50 1ncw n PRO 227 N 2.01 0.74 -2.12 0.39 -0.02 -1.26 -4.76 135.00 129.98 1ncw n PRO 227 Ca -0.14 0.31 -0.35 0.00 -2.02 0.00 0.00 63.50 61.30 1ncw n PRO 227 Cb 0.53 -2.42 0.02 0.00 -0.02 0.00 0.00 33.50 31.61 1ncw n PRO 227 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1ncw s ARG 228 N -3.50 3.17 0.00 -0.52 0.52 -1.26 -4.78 118.95 112.58 1ncw s ARG 228 Ca 0.78 1.63 0.00 0.00 -0.52 0.00 0.00 55.73 57.62 1ncw s ARG 228 Cb -0.35 -1.98 0.00 0.00 0.52 0.00 0.00 34.95 33.14 1ncw s ARG 228 CO 0.45 -1.00 0.00 0.41 0.02 0.00 0.00 175.30 175.19 1ncw n GLY 229 N 0.14 0.06 3.76 -3.53 0.00 -1.26 -4.94 105.19 99.41 1ncw n GLY 229 Ca 0.12 -1.96 -0.41 0.00 0.00 0.00 0.00 46.02 43.76 1ncw n GLY 229 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ncw n PRO 230 N -0.10 2.55 0.00 1.61 -0.02 -1.26 -5.18 135.00 132.59 1ncw n PRO 230 Ca 0.00 0.89 0.00 0.00 -2.02 0.00 0.00 63.50 62.37 1ncw n PRO 230 Cb 0.00 -2.59 0.00 0.00 -0.02 0.00 0.00 33.50 30.89 1ncw n PRO 230 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73